3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole

C12H9NOS — CID 54042875

IUPAC3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole
SMILESc1coc(-c2c[nH]cc2-c2cccs2)c1
InChIInChI=1S/C12H9NOS/c1-3-11(14-5-1)9-7-13-8-10(9)12-4-2-6-15-12/h1-8,13H
InChIKeyRZNJLCRNUHIGOO-UHFFFAOYSA-N
MW215.28 g/mol
LogP4.00
Rot. Bonds2

About 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole

3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole (PubChem CID 54042875) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole
PubChem CID54042875
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole
SMILESc1coc(-c2c[nH]cc2-c2cccs2)c1
InChIInChI=1S/C12H9NOS/c1-3-11(14-5-1)9-7-13-8-10(9)12-4-2-6-15-12/h1-8,13H
InChIKeyRZNJLCRNUHIGOO-UHFFFAOYSA-N
XLogP4.00
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole?
The IUPAC name of 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole (CID 54042875) is 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole.
What is the SMILES notation for 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole?
The canonical SMILES for 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole is c1coc(-c2c[nH]cc2-c2cccs2)c1.
What is the InChIKey of 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole?
The InChIKey is RZNJLCRNUHIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-3-11(14-5-1)9-7-13-8-10(9)12-4-2-6-15-12/h1-8,13H.
What are the key properties of 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole?
3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole has a molecular weight of 215.28 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole is sourced from PubChem (CID 54042875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).